Research workbench

Allantoin racemase from klebsiella pneumoniae

Analyse Allantoin racemase from klebsiella pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3QVK
Type: protein
Length: 490 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative hydantoin racemase
UniProt: A6T9E8
Ligands: 2AL
Pockets: 6 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative hydantoin racemase	protein	245	48% helix, 15% strand	A6T9E8

Ligands and binding sites

2AL · 1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.73	0.98	24	2AL
2	70	0.73	0.97	23	2AL
3	99	0.41	0.77	20	empty
4	69	0.34	0.75	11	empty
5	82	0.33	0.74	17	empty

Interfaces

1 interface between chains.

A–B · 495 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3QVK · Allantoin racemase from Klebsiella pneumoniae · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A6T9E8
Elsewhere: RCSB PDB 3QVK · PDBe 3QVK · UniProt A6T9E8

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